Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNTWKIYILAIVSFLVGTSEYIISGILDQIAHTLGITLAAAGQLITIFSLVYALSTPVLMALTASMDRRKLMMYALGLFVFGNVLAFVLP----GYGWFIAARIIMAMGAGVVVVTALTIAAKIASEGKQGSAIATVVMGFTASLIIGVPLGRMIAV-ALGWKSVFGAIALLGLIAMVVIFFTLPYTEGD------KP-V--PLLQQ-----LALFKKRKVAMGLSITFFWLGGYSVAYTYLSPYLLNISGINGKLLSGVLLIFGIASLVGSKFGGYSTDKWGVPFTLVGGMT---LHIVTLILLSLVT-HSYIGVLVILILWSFAAWSTGPTQQFHLATIEPE-MSGVLLSMNQSMMQFAM-AVGAGIGGVFVENVSLASITWVGALGVMIAIIASLLIFNSQPKQALKDINQ |
1PW4 Chain:A ((34-447)) | ---------IFFGYAAYYLVRKNFALAMPYL-VEQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND---TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDFFGWDGGFMVMIGGSILAVILLIVVMIGEKRRHEQLLQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PW4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -402617 for 3217 contacts (-125.2/contact) +
2D Compatibility (PS) -37569 + (NN) 1306 + (LL) 1348
1D Compatibility (HY) -15200 + (ID) 2100
Total energy: -454832.0 ( -141.38 by residue)
QMean score : 0.275
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